IMI Mol v1.0
12
(0.0908261,-1.67868)  R 2 R4   (0.0680154,0.111912)
(0.807503,-0.222314)  H 3 2HG   (-0.107149,-0.196458)
(-0.815493,-0.984984)  H 3 1HB   (-0.101468,-0.20634)
(0.623791,-0.997084)  H 3 2HB   (-0.103942,-0.20868)
(-0.614255,-0.230304)  H 3 1HG   (-0.114982,0.129217)
(-0.462495,1.1595)  H 3 1HE   (-0.0717981,0.125682)
(0.815493,0.7841)  H 3 3HE   (-0.0790356,-0.213709)
(0.112598,1.67868)  H 3 2HE   (0.111225,-0.0974719)
(0.235988,1.10738)  C 2 CE   (0.100472,0.100472)
(-0.148073,-0.798394)  C 2 CB   (-0.227377,0.0908174)
(0.119411,-0.041604)  C 2 CG   (0.0827512,0.0993643)
(-0.25365,0.567596)  S 2 SD   (-0.222882,0.096657)
11
+ 1 10   5 1.538
+ 10 11   4 1.53
+ 11 12   5 1.818
+ 12 9   5 1.816
+ 9 6   5 1.111
+ 9 8   5 1.111
+ 9 7   5 1.111
+ 4 10   5 1.111
+ 3 10   5 1.111
+ 11 2   5 1.111
+ 5 11   5 1.111
19
+ 11 10 1   2 1   5 113.5
+ 12 11 10   3 2   5 114.5
+ 9 12 11   4 3   4 95.0
+ 6 9 12   5 4   5 111.3
- 8 9 6   6 5   5 120.0
+ 8 9 12   6 4   5 111.3
- 3 10 11   9 2   5 120.0
+ 3 10 1   9 1   5 110.1
- 2 11 12   10 3   5 120.0
+ 2 11 10   10 2   5 110.1
- 5 11 2   11 10   5 120.0
- 5 11 12   11 3   5 120.0
+ 5 11 10   11 2   5 110.1
- 4 10 3   8 9   5 120.0
- 4 10 11   8 2   5 120.0
+ 4 10 1   8 1   5 110.1
- 7 9 8   7 6   5 111.3
- 7 9 6   7 5   5 120.0
+ 7 9 12   7 4   5 111.3
16
+ 9 12 11 10   + 3 2   2 75 0.0737527
+ 6 9 12 11   + 4 3   3 180 0.0115171
+ 6 9 12 8   - 4 6   3 120 -0.0194232
- 8 9 12 11   + 6 3   1 0 0
+ 12 11 10 2   - 2 10   4 -120 -0.0274733
- 5 11 10 2   - 13 10   5 120.0 0.0135838
+ 12 11 10 5   - 2 13   3 120 -0.00957177
- 4 10 1 3   - 16 8   5 120.0 0.00480413
- 8 9 12 7   - 6 19   6 -120.0 0.023891
+ 6 9 12 7   - 4 19   4 -120 -0.00887838
- 7 9 12 11   + 19 3   4 60.0 0
+ 11 10 1 4   - 1 16   4 -120 0.00319517
- 1 10 11 5   + 1 13   4 60.0 -0.0222838
- 1 10 11 2   + 1 10   1 0 -0.0467816
+ 11 10 1 3   - 1 8   3 120 -0.00888555
+ 1 10 11 12   + 1 2   3 180 0.0982765
0
1 -1 -1